Hexadecane

Product Information

Molecular Formula:
C16H34
Molecular Weight:
226.44
Description
Hexadecane may be used as a solvent for trioctylamine-based synthesis of indium antimonide (InSb) nanocrystals. It may also be used as an internal standard for the synthesis of poly(9,9-dioctylfluorene)-b-poly(3-hexylthiophene) via Grignard metathesis chain growth polymerization.
Synonyms
Cetane
IUPAC Name
hexadecane
Canonical SMILES
CCCCCCCCCCCCCCCC
InChI
InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3
InChI Key
DCAYPVUWAIABOU-UHFFFAOYSA-N
Boiling Point
287°C
Melting Point
18-284°C
Flash Point
275.0 °F - closed cup
Purity
95%
Density
0.77
Solubility
In water, 2.1X10-5 mg/L at 25 °C
Appearance
colourless liquid
Application
Used as a solvent and organic intermediate.
Refractive Index
n20/D 1.434 (lit.)
Stability
Stable. Substances to be avoided include strong oxidizing agents. Combustible. Hygroscopic.
LogP
log Kow = 8.20 (est)
Vapor Pressure
0.00143 [mmHg]
Henry's Law Constant
21 atm-cu m/mol at 25 °C (est)
Decomposition
When heated to decomposition it emits acrid smoke and irritating vapors.
Odor
Odorless (without any specific odor)

Safety Information

Hazards
H304
Precautionary Statement
P301 + P310 - P331 - P405 - P501

QC Data

Computed Properties

XLogP3
8.3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
0
Rotatable Bond Count
13
Exact Mass
226.266051085 g/mol
Monoisotopic Mass
226.266051085 g/mol
Topological Polar Surface Area
0Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
92.6
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
CN-114133572-A Photosensitive organic silicon resin, preparation method and application 2022-01-06
CN-114133772-A Durable super-amphiphobic thin film material with gradient structure and preparation method thereof 2021-12-31
CN-114159370-A Application of oat fermentation extract in preparation of cosmetics 2021-12-29
CN-114180026-A Dredging phase change composite flexible thermal protection structure and application thereof in deformable aircraft 2021-12-28
CN-114130419-A Catalyst for preparing aromatic hydrocarbon by catalyzing phenol compound to be hydrodeoxygenated, and preparation method and application thereof 2021-12-18
CN-114130416-A Preparation method of carbon-supported multi-metal catalyst and application of carbon-supported multi-metal catalyst in N-alkylation reaction 2021-12-16
CN-114177896-A Nano-micron particle with high surface free energy layer and low surface free energy layer, and preparation method and application thereof 2021-12-15
JP-2022031355-A Pest control method 2021-12-15
JP-2022040128-A Decorative sheet and decorative board 2021-12-14
CN-114028296-A Multi-dimensional skin sensitivity repairing cosmetic component and application 2021-12-13

Literatures

PMID Publication Date Title Journal
22917079 2012-12-01 Cell death and cytokine production induced by autoimmunogenic hydrocarbon oils Autoimmunity
22909967 2012-11-15 Mixed O/W emulsions stabilized by solid particles: a model system for controlled mass transfer triggered by surfactant addition Journal of colloid and interface science
22925119 2012-11-15 Conductivity in nonpolar media: experimental and numerical studies on sodium AOT-hexadecane, lecithin-hexadecane and aluminum(III)-3,5-diisopropyl salicylate-hexadecane systems Journal of colloid and interface science
22939600 2012-11-01 Simultaneous degradation of phenol and n-hexadecane by Acinetobacter strains Bioresource technology
22940327 2012-11-01 Isolation and characterization of a lipopeptide bioemulsifier produced by Pseudomonas nitroreducens TSB.MJ10 isolated from a mangrove ecosystem Bioresource technology
23062012 2012-10-24 Encapsulated triplet-triplet annihilation-based upconversion in the aqueous phase for sub-band-gap semiconductor photocatalysis Journal of the American Chemical Society
22992132 2012-10-23 Effect of surface texturing on superoleophobicity, contact angle hysteresis, and 'robustness' Langmuir : the ACS journal of surfaces and colloids
22952050 2012-10-18 A versatile fluorescence approach to kinetic studies of hydrocarbon autoxidations and their inhibition by radical-trapping antioxidants Chemical communications (Cambridge, England)
22815190 2012-10-02 Measurements of anisotropic (off-axis) friction-induced motion Advanced materials (Deerfield Beach, Fla.)
22795946 2012-10-01 Cationic liposomes in double emulsions for controlled release Journal of colloid and interface science
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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